chempirical

β-Naphthyl laurate

C22H30O2CAS 6343-73-3326.48 g/mol

Open in Covalent MOL file
OO
Ester

Properties

Molecular formula
C22H30O2
Molar mass
326.48 g/mol
Exact mass
326.2246 Da
Melting point
58–60 °C
logP
6.67Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
11

Identifiers

CAS number
6343-73-3
SMILES
CCCCCCCCCCCC(=O)Oc1ccc2ccccc2c1
InChIKey
CIGGUBXZFFSTTA-UHFFFAOYSA-N
InChI
InChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-15-22(23)24-21-17-16-19-13-11-12-14-20(19)18-21/h11-14,16-18H,2-10,15H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Dodecanoic acid, 2-naphthalenyl ester
  • Lauric acid, 2-naphthyl ester
  • 2-Naphthol, laurate
  • 2-Naphthyl dodecanoate
  • 2-Naphthyl laurate
  • NSC 49742

Work with β-Naphthyl laurate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Naphthyl myristate7262-80-8100 % similar Phenyl stearate637-55-869 % similar 4-Methylphenyl octanoate59558-23-562 % similar P-Nitrophenyl palmitate1492-30-454 % similar P-Nitrophenyl laurate1956-11-254 % similar 4-Methylumbelliferyl heptanoate18319-92-152 % similar 2-Naphthyl acetate1523-11-150 % similar 4-Methylumbelliferyl oleate18323-58-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook